CAS No.59690-97-0,10-Bromocarbamazepine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	59690-97-0
Name:	10-Bromocarbamazepine
Article Data:	3

Formula:	C₁₅H₁₁BrN₂O
Molecular Weight:	315.169
Synonyms:	5H-Dibenz(b,f)azepine-5-carboxamide, 10-bromo-;
Density:	1.584 g/cm³
Boiling Point:	463.091 °C at 760 mmHg
Flash Point:	233.869 °C
PSA:	47.32000
LogP:	4.68860

Total:14 Page 1 of 1 1

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Specification

The 10-Bromocarbamazepine, with the CAS registry number 59690-97-0, is also known as 10-Bromo-5H-dibenzo[b,f]azepine-5-carboxamide. This chemical's molecular formula is C₁₅H₁₁BrN₂O and molecular weight is 315.17. What's more, its IUPAC name is called 5-Bromobenzo[b][1]benzazepine-11-carboxamide.

Physical properties about 10-Bromocarbamazepine are: (1)ACD/LogP: 2.266; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27 ; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 31.06; (6)ACD/BCF (pH 7.4): 31.06; (7)ACD/KOC (pH 5.5): 407.14; (8)ACD/KOC (pH 7.4): 407.14; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 46.33 Å²; (13)Index of Refraction: 1.706; (14)Molar Refractivity: 77.467 cm³; (15)Molar Volume: 198.939 cm³; (16)Polarizability: 30.71×10^-24cm³; (17)Surface Tension: 63.934 dyne/cm; (18)Density: 1.584 g/cm³; (19)Flash Point: 233.869 °C; (20)Enthalpy of Vaporization: 72.426 kJ/mol; (21)Boiling Point: 463.091 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Uses of 10-Bromocarbamazepine: it is used to produce other chemicals. For example, it can react with piperidine to get N-(5-Carbamoyl-5H-dibenz[b,f]azepin-10-yl)piperidin. The reaction occurs with reagent tert-C₄H₉OK, solvent 2-methyl-propan-2-ol and other condition of heating for 15 hours. The yield is 58 %.

10-Bromocarbamazepine can react with piperidine to get N-(5-Carbamoyl-5H-dibenz[b,f]azepin-10-yl)piperidin.

You can still convert the following datas into molecular structure:
(1) SMILES: Br\C2=C\c1c(cccc1)N(c3c2cccc3)C(=O)N
(2) InChI: InChI=1S/C15H11BrN2O/c16-12-9-10-5-1-3-7-13(10)18(15(17)19)14-8-4-2-6-11(12)14/h1-9H,(H2,17,19)
(3) InChIKey: FGWUKVYDIGVLTD-UHFFFAOYSA-N